General Information of the Compound
| Compound ID |
CP0422893
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| Compound Name |
4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]-3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-carbonyl}-transcyclohexanecarboxylic Acid
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| Formula |
C29H29F3N4O5
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| Molecular Weight |
570.568
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
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| InChI |
InChI=1S/C29H29F3N4O5/c30-29(31,32)24-23(35-26(41-24)18-4-2-1-3-5-18)25(37)34-21-10-11-22(33-16-21)17-12-14-36(15-13-17)27(38)19-6-8-20(9-7-19)28(39)40/h1-5,10-11,16-17,19-20H,6-9,12-15H2,(H,34,37)(H,39,40)/t19-,20-
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| InChIKey |
KVNKQIPSGBJKDN-MXVIHJGJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound